Moexiprilat Acyl-|A-D-glucuronide, >65%
기본 정보
- CAS
1260613-88-4- 표준 SMILES
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2- InChIKey
GRZLEQLIJFMAST-OWQQGPOCSA-N- 분자식
- C31H38N2O13
- 평균 분자량
- 646.6 g/mol
- 단동위원소 질량
- 646.23738927
이름 및 식별자
- 우선 이름
- Moexiprilat Acyl-|A-D-glucuronide, >65%
- IUPAC
- (2S,3S,4S,5R,6S)-6-[(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- 영어명
- Moexiprilat Acyl--D-glucuronide, >65%
- 분자식
- C31H38N2O13
- 분자량
- 646.64
이름 및 동의어
1260613-88-4Moexiprilat Acyl-|A-D-glucuronide, >65%(2S,3S,4S,5R,6S)-6-[(3S)-2-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidMoexipril Acyl GlucuronideMoexiprilat Acyl-beta-D-glucuronide, >65per centDTXSID80858127Moexiprilat Acyl-?-D-glucuronide, >65%1-O-[(3S)-2-{N-[(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-beta-D-glucopyranuronic acidMoexipril Impurity 8GRZLEQLIJFMAST-LJFATIPMSA-NMoexiprilat Acyl-β-D-glucuronideMoexiprilat Acyl--D-glucuronide, >65%
이름 더 보기
Moexiprilat Acyl-β-D-glucuronide, >65%2-[2-(1-Carboxy-3-phenyl-propylamino)propionyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic Acid -D-Glucopyranuronic Acid2-[2-(1-Carboxy-3-phenyl-propylaMino)propionyl]-6,7-diMethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylate Acid β-D-Glucopyranuronic Acid
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 222 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,070
화학 및 산업
응용 분야
용도A glucuronide metabolite of Moexiprilat (M485360).
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…